Molecule ID: mol26092
SMILES: NS(=O)(=O)c1ccc2ccccc2n1
InChI: InChI=1S/C9H8N2O2S/c10-14(12,13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.31 | AttenGpKa training set | 1 » 0 |
| 9.40 | AttenGpKa training set | 0 » -1 |